(2R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]sulfanylpropanoic acid

C22H18ClNO2S — CID 3246446

IUPAC(2R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]sulfanylpropanoic acid
SMILESN[C@@H](CSC1(c2ccc(Cl)cc2)c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C22H18ClNO2S/c23-15-11-9-14(10-12-15)22(27-13-20(24)21(25)26)18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1-12,20H,13,24H2,(H,25,26)/t20-/m0/s1
InChIKeyBZRSNJXOHYRQSB-FQEVSTJZSA-N
MW395.91 g/mol
LogP4.76
Rot. Bonds5

About (2R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]sulfanylpropanoic acid

(2R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]sulfanylpropanoic acid (PubChem CID 3246446) has the molecular formula C22H18ClNO2S and a molecular weight of 395.91 g/mol. Its IUPAC name is (2R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]sulfanylpropanoic acid
PubChem CID3246446
Molecular FormulaC22H18ClNO2S
Molecular Weight395.91 g/mol
Exact Mass395.07
IUPAC Name(2R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]sulfanylpropanoic acid
SMILESN[C@@H](CSC1(c2ccc(Cl)cc2)c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C22H18ClNO2S/c23-15-11-9-14(10-12-15)22(27-13-20(24)21(25)26)18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1-12,20H,13,24H2,(H,25,26)/t20-/m0/s1
InChIKeyBZRSNJXOHYRQSB-FQEVSTJZSA-N
XLogP4.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2r)-2-Amino-3-[(4-Chlorophenyl)-Diphenyl-Methyl]sulfanyl-Propanoic Acid
CID 21140145
(2R)-2-amino-3-{[9-(naphthalen-1-yl)-9H-fluoren-9-yl]sulfanyl}propanoic acid
CID 24860504
(2R)-2-amino-3-[(9-phenyl-9H-fluoren-9-yl)sulfanyl]propanoic acid
CID 24860500
(2R)-2-amino-3-[[2-(3-chlorophenyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]sulfanyl]propanoic acid
CID 122195345
(2R)-2-amino-3-{[9-(4-fluorophenyl)-9H-fluoren-9-yl]sulfanyl}propanoic acid
CID 24860502
(2R)-2-amino-3-{[9-(4-methylphenyl)-9H-fluoren-9-yl]sulfanyl}propanoic acid
CID 24860501
(2R)-2-azaniumyl-3-[(4-chlorophenyl)-diphenylmethyl]sulfanylpropanoate
CID 72199506
(2R)-2-amino-3-[(3-chlorophenyl)-diphenylmethyl]sulfanylpropanoic acid
CID 57326474
(2R)-2-amino-3-[1-(3-chlorophenyl)-1,2-diphenylethyl]sulfanylpropanoic acid
CID 66572324
(2R)-2-amino-3-[1-(4-chlorophenyl)-1,2-diphenylethyl]sulfanylpropanoic acid
CID 66572327
(2R)-2-amino-3-[1-(3,4-dichlorophenyl)-1,2-diphenylethyl]sulfanylpropanoic acid
CID 66572330
(2R)-2-amino-3-[1-(3-chlorophenyl)-1-(4-chlorophenyl)-2-phenylethyl]sulfanylpropanoic acid
CID 66572331

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]sulfanylpropanoic acid (CID 3246446) is (2R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]sulfanylpropanoic acid is N[C@@H](CSC1(c2ccc(Cl)cc2)c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]sulfanylpropanoic acid?
The InChIKey is BZRSNJXOHYRQSB-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H18ClNO2S/c23-15-11-9-14(10-12-15)22(27-13-20(24)21(25)26)18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1-12,20H,13,24H2,(H,25,26)/t20-/m0/s1.
What are the key properties of (2R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]sulfanylpropanoic acid?
(2R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]sulfanylpropanoic acid has a molecular weight of 395.91 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]sulfanylpropanoic acid is sourced from PubChem (CID 3246446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).